Anthranilic acid
PubChem CID: 227
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| Compound Synonyms | anthranilic acid, 2-aminobenzoic acid, 118-92-3, o-aminobenzoic acid, o-Carboxyaniline, 2-Carboxyaniline, vitamin L1, o-Anthranilic acid, Benzoic acid, 2-amino-, anthranilate, 1-Amino-2-carboxybenzene, ortho-Aminobenzoic acid, Benzoic acid, o-amino-, Carboxyaniline, Kyselina anthranilova, NCI-C01730, Benzoic acid, amino-, Vitamin L, Caswell No. 033G, Kyselina o-aminobenzoova, 2-azaniumylbenzoate, 2-amino-Benzoic acid, NSC 144, CCRIS 49, Kyselina anthranilova [Czech], Antranilic Acid, BRN 0471803, HSDB 1321, Kyselina o-aminobenzoova [Czech], AI3-02408, EINECS 204-287-5, o-Aminobenzoesaeure, UNII-0YS975XI6W, 2-Aminobenzoesaeure, 0YS975XI6W, DTXSID8020094, CHEBI:30754, alpha-Aminobenzoic acid, Ortho-amidobenzoic acid, NSC-144, Anthranilic Acid-13C6, Cupric anthranilate, MFCD00007712, NSC-40929, DTXCID7094, Bis(anthranilato)copper, NSC 3937, Bis(o-aminobenzoato)copper, EC 204-287-5, Copper, bis(anthranilato)-, Anthranic acid, Copper, bis(2-aminobenzoato)-, NCGC00091175-01, Copper, bis(2-aminobenzoato-N,O)-, 1321-11-5, BE2, ANTHRANILIC ACID (IARC), ANTHRANILIC ACID [IARC], 2-amino benzoic acid, NSC3937, CAS-118-92-3, 15442-49-6, Anthranate, anthanilic acid, o-Anthranilate, o-amino-Benzoate, 4owv, 2-amino-Benzoate, Ortho-amidobenzoate, Ortho-aminobenzoate, 2-aminobezoic acid, anthranilic acid gr, 2-Aminophenylacetate, 2-Carboxyphenylamine, o-amino-Benzoic acid, 2-anilinecarboxylic acid, Anthranilic acid, 98%, H-2-Abz-OH, SCHEMBL675, bmse000067, bmse000917, H-(2)Abz-OH, NCIOpen2_001191, Oprea1_390012, 80206-34-4, 98072-80-1, CHEMBL14173, NSC144, ANTHRANILIC ACID [HSDB], 1-aminobenzene-2-carboxylic acid, O-AMINOBENZOIC ACID [MI], ANTHRANILIC ACID [WHO-DD], NSC40929, Tox21_111095, Tox21_200703, BBL025605, BDBM50376751, STK298716, AKOS002667021, Tox21_111095_1, DB04166, FA01369, NCGC00091175-02, NCGC00091175-03, NCGC00258257-01, 50816-84-7, AC-11503, Anthranilic acid, reagent grade, >=98%, BP-30147, DB-292931, DS-009700, A0497, NS00009891, A-7990, C00108, BENZOIC ACID,2-AMINO ANTHRANILIC ACID, Benzoic acid,2-amino-,labeled with tritium(9ci), Anthranilic acid, puriss. p.a., >=99.5% (T), Q385140, 3B851741-2A4D-440D-BB22-1A455121BA21, 2-Aminobenzoic acid, o-Aminobenzoic acid, 1-Amino-2-carboxybenzene, o-Carboxyaniline, InChI=1/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10, 204-287-5, Benzoic acid,2-amino-,diazotized,coupled with 4-amino-5-hydroxy-2,7-naphthalenedisulfonic acid,diazotized 3,3'-dimethyl[1,1'-biphenyl]-4,4'-diamine and 5,5'-[oxybis[(5-hydroxy-3,1-phenylene)oxy]]b |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 63.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Aminoacids, Anthranillic acid derivatives |
| Deep Smiles | OC=O)cccccc6N |
| Heavy Atom Count | 10.0 |
| Pathway Kegg Map Id | map00380 |
| Classyfire Class | Benzene and substituted derivatives |
| Description | 2-Aminobenzoic acid is an organic compound. It is a substrate of enzyme anthranilate hydroxylase [EC 1.14.13.35] in benzoate degradation via hydroxylation pathway (KEGG). [HMDB]. Anthranilic acid is found in many foods, some of which are butternut squash, sunflower, ginger, and hyssop. |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Benzoic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 136.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q16719, Q63HM1 |
| Iupac Name | 2-aminobenzoic acid |
| Class | Benzene and substituted derivatives |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 1.2 |
| Superclass | Benzenoids |
| Subclass | Benzoic acids and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H7NO2 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | RWZYAGGXGHYGMB-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | 1-amino-2-Carboxybenzene, 2-amino-Benzoate, 2-amino-Benzoic acid, 2-Aminobenzoesaeure, 2-Aminobenzoic acid, 2-Aminophenylacetate, 2-Aminophenylacetic acid, 2-Carboxyaniline, Anthranate, Anthranic acid, Anthranilic acid gr, Anthranilic acid, 8CI, Carboxyaniline, H-2-Abz-OH, Kyselina anthranilova, Kyselina O-aminobenzoova, O-amino-Benzoate, O-amino-Benzoic acid, O-Aminobenzoate, O-Aminobenzoesaeure, O-Anthranilate, O-Anthranilic acid, O-Carboxyaniline, ortho-Amidobenzoate, ortho-Amidobenzoic acid, ortho-Aminobenzoate, ortho-Aminobenzoic acid, Vitamin L, Vitamin L1, O-Aminobenzoic acid, Anthranilic acid, 2-Aminobenzoate, Anthranilate, Anthranilic acid, cadmium salt, Anthranilic acid, calcium (2:1) salt, Anthranilic acid, monolithium salt, Sodium anthranilate, Anthranilic acid, dihydrochloride, Anthranilic acid, hydrochloride, Anthranilic acid, monosodium salt, 1-Amino-2-carboxybenzene, 2-Amino-benzoate, 2-Amino-benzoic acid, Anthranilic acid GR, O-Amino-benzoate, O-Amino-benzoic acid, Ortho-amidobenzoate, Ortho-amidobenzoic acid, Ortho-aminobenzoate, Ortho-aminobenzoic acid, 2-aminobenzoic acid, anthranilate, anthranilic acid, anthranilic-acid |
| Substituent Name | Aminobenzoic acid, Benzoic acid, Substituted aniline, Benzyl alcohol, Benzoyl, Aniline, Primary aromatic amine, Vinylogous amide, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Aromatic alcohol, Primary amine, Organooxygen compound, Organonitrogen compound, Carbonyl group, Amine, Aromatic homomonocyclic compound |
| Esol Class | Very soluble |
| Functional Groups | cC(=O)O, cN |
| Compound Name | Anthranilic acid |
| Kingdom | Organic compounds |
| Exact Mass | 137.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 137.048 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 137.14 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10) |
| Smiles | C1=CC=C(C(=C1)C(=O)O)N |
| Np Classifier Biosynthetic Pathway | Alkaloids, Amino acids and Peptides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Aminobenzoic acids |
| Np Classifier Superclass | Anthranilic acid alkaloids, Small peptides |
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